Compound Detail
CHEMBL5289870
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Basic Information
| ChEMBL ID | CHEMBL5289870 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KKFLBSBSMGLFEA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
383.4
MW (Da)
2.32
ALogP
8
HBA
1
HBD
125.4
PSA (Ų)
0.32
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Telomerase reverse transcriptase CHEMBL2916 | IC50 | 4.23 | 4.23 | 58640.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Telomerase reverse transcriptase | IC50 | = | 58640.0 | nM | 4.23 | Inhibition of telomerase activity in human CNE-2 cells | 28888820 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28888820 | 10.1016/j.bmcl.2017.08.044 | CNE-2 | 1 |
| 28888820 | 10.1016/j.bmcl.2017.08.044 | KB | 1 |
| 28888820 | 10.1016/j.bmcl.2017.08.044 | CAL-27 | 1 |
| 28888820 | 10.1016/j.bmcl.2017.08.044 | Telomerase reverse transcriptase | 1 |
Data from ChEMBL 36 via Core Engine